Structure Database (LMSD)

Common Name
Tabularin
Systematic Name
Synonyms
LM ID
LMPK12111283
Formula
C19H18O8
Exact Mass
Calculate m/z
374.10017
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
WGBYXADIGKYTAA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O8/c1-23-12-8-15(25-3)14(24-2)5-9(12)13-6-10(20)17-16(27-13)7-11(21)19(26-4)18(17)22/h5-8,21-22H,1-4H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C(OC)=CC(OC)=C(OC)C=3)=CC(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
FL3FELNS0003
PubChem CID
44258537

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 316.68
Topological Polar Surface Area 107.59
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 3.81
Molar Refractivity 97.57

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Updated at
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